2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H18ClN3O3 — CID 17448221

IUPAC2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2cccc(Cl)c2)no1
InChIInChI=1S/C15H18ClN3O3/c1-11-8-14(18-22-11)17-15(20)10-19(2)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,20)
InChIKeyPXIXUZBGYVHBBD-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 17448221) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID17448221
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2cccc(Cl)c2)no1
InChIInChI=1S/C15H18ClN3O3/c1-11-8-14(18-22-11)17-15(20)10-19(2)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,20)
InChIKeyPXIXUZBGYVHBBD-UHFFFAOYSA-N
XLogP2.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799350
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-(3-chlorophenoxy)propyl-methylamino]acetamide
CID 60507253
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 60517240
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509470
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 17448221) is 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)CCOc2cccc(Cl)c2)no1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PXIXUZBGYVHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-11-8-14(18-22-11)17-15(20)10-19(2)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 17448221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).